2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine

C17H21NO3 — CID 62336890

IUPAC2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCCOc1cccc(OCC(N)c2cccc(OC)c2)c1
InChIInChI=1S/C17H21NO3/c1-3-20-15-8-5-9-16(11-15)21-12-17(18)13-6-4-7-14(10-13)19-2/h4-11,17H,3,12,18H2,1-2H3
InChIKeySSBDVQNJFMZDOG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds7

About 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine

2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine (PubChem CID 62336890) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
PubChem CID62336890
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCCOc1cccc(OCC(N)c2cccc(OC)c2)c1
InChIInChI=1S/C17H21NO3/c1-3-20-15-8-5-9-16(11-15)21-12-17(18)13-6-4-7-14(10-13)19-2/h4-11,17H,3,12,18H2,1-2H3
InChIKeySSBDVQNJFMZDOG-UHFFFAOYSA-N
XLogP3.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
1-(3-methoxyphenyl)-2-naphthalen-1-yloxyethanamine
CID 16788018
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 43118068
1-(3-ethoxyphenyl)-5-methylhexan-1-amine
CID 83161762

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine (CID 62336890) is 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine is CCOc1cccc(OCC(N)c2cccc(OC)c2)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is SSBDVQNJFMZDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-20-15-8-5-9-16(11-15)21-12-17(18)13-6-4-7-14(10-13)19-2/h4-11,17H,3,12,18H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine?
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 62336890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).